General Information of the Compound
| Compound ID |
CP0383722
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| Compound Name |
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3S,4S)-3-hydroxy-3-methyloxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H26FN5O3
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| Molecular Weight |
463.513
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1
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| InChI |
InChI=1S/C25H26FN5O3/c1-25(33)15-34-9-7-22(25)29-24(32)19-14-31(21-4-3-8-27-23(19)21)13-17-6-5-16(10-20(17)26)18-11-28-30(2)12-18/h3-6,8,10-12,14,22,33H,7,9,13,15H2,1-2H3,(H,29,32)/t22-,25+/m0/s1
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| InChIKey |
KIJJKSWIIOQXOZ-WIOPSUGQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01913, Muscarinic acetylcholine receptor M1